2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid

C11H14N2O2 — CID 112715931

IUPAC2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid
SMILESO=C(O)CC1c2[nH]ncc2CCC12CC2
InChIInChI=1S/C11H14N2O2/c14-9(15)5-8-10-7(6-12-13-10)1-2-11(8)3-4-11/h6,8H,1-5H2,(H,12,13)(H,14,15)
InChIKeyQHXNGUHHWMSYMW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds2

About 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid

2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid (PubChem CID 112715931) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid.

Molecular Properties

Compound Name2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid
PubChem CID112715931
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid
SMILESO=C(O)CC1c2[nH]ncc2CCC12CC2
InChIInChI=1S/C11H14N2O2/c14-9(15)5-8-10-7(6-12-13-10)1-2-11(8)3-4-11/h6,8H,1-5H2,(H,12,13)(H,14,15)
InChIKeyQHXNGUHHWMSYMW-UHFFFAOYSA-N
XLogP1.69
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310
(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
CID 112714625
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 126986453
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
4-[(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)methyl]benzoic acid
CID 122032052
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
CID 119787790
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid?
The IUPAC name of 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid (CID 112715931) is 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid.
What is the SMILES notation for 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid?
The canonical SMILES for 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid is O=C(O)CC1c2[nH]ncc2CCC12CC2.
What is the InChIKey of 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid?
The InChIKey is QHXNGUHHWMSYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-9(15)5-8-10-7(6-12-13-10)1-2-11(8)3-4-11/h6,8H,1-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid?
2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-ylacetic acid is sourced from PubChem (CID 112715931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).